3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine

C17H19BrN2O — CID 70099298

IUPAC3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine
SMILESBrc1cncc(OC(Cc2ccccc2)C2CCNC2)c1
InChIInChI=1S/C17H19BrN2O/c18-15-9-16(12-20-11-15)21-17(14-6-7-19-10-14)8-13-4-2-1-3-5-13/h1-5,9,11-12,14,17,19H,6-8,10H2
InChIKeyIYTRNFPACXJATB-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.44
Rot. Bonds5

About 3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine

3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine (PubChem CID 70099298) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine
PubChem CID70099298
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine
SMILESBrc1cncc(OC(Cc2ccccc2)C2CCNC2)c1
InChIInChI=1S/C17H19BrN2O/c18-15-9-16(12-20-11-15)21-17(14-6-7-19-10-14)8-13-4-2-1-3-5-13/h1-5,9,11-12,14,17,19H,6-8,10H2
InChIKeyIYTRNFPACXJATB-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine?
The IUPAC name of 3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine (CID 70099298) is 3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine.
What is the SMILES notation for 3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine?
The canonical SMILES for 3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine is Brc1cncc(OC(Cc2ccccc2)C2CCNC2)c1.
What is the InChIKey of 3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine?
The InChIKey is IYTRNFPACXJATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c18-15-9-16(12-20-11-15)21-17(14-6-7-19-10-14)8-13-4-2-1-3-5-13/h1-5,9,11-12,14,17,19H,6-8,10H2.
What are the key properties of 3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine?
3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine has a molecular weight of 347.26 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine is sourced from PubChem (CID 70099298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).